(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C21H24N4O4S2 — CID 92802295

IUPAC(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H24N4O4S2/c1-15-19(21(27)25(23(15)2)17-9-4-3-5-10-17)22-20(26)16-8-6-12-24(14-16)31(28,29)18-11-7-13-30-18/h3-5,7,9-11,13,16H,6,8,12,14H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyZQNRYOIYGJGIDE-MRXNPFEDSA-N
MW460.58 g/mol
LogP2.59
Rot. Bonds5

About (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 92802295) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID92802295
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H24N4O4S2/c1-15-19(21(27)25(23(15)2)17-9-4-3-5-10-17)22-20(26)16-8-6-12-24(14-16)31(28,29)18-11-7-13-30-18/h3-5,7,9-11,13,16H,6,8,12,14H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyZQNRYOIYGJGIDE-MRXNPFEDSA-N
XLogP2.59
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 39877381
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-(1-ethyl-2,3-dimethyl-5-oxopyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 170699625
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 98194045
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-[(S)-(4-methylphenyl)-phenylmethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 37152907
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
(3R)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 40953010

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 92802295) is (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZQNRYOIYGJGIDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-15-19(21(27)25(23(15)2)17-9-4-3-5-10-17)22-20(26)16-8-6-12-24(14-16)31(28,29)18-11-7-13-30-18/h3-5,7,9-11,13,16H,6,8,12,14H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
(3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92802295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).